2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H24BIO3 — CID 10785085

IUPAC2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CCC[C@@H]([C@H](I)B2OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C13H24BIO3/c1-9-7-6-8-10(16-9)11(15)14-17-12(2,3)13(4,5)18-14/h9-11H,6-8H2,1-5H3/t9?,10-,11-/m0/s1
InChIKeyAQQHRUCWWJFCCE-DVRYWGNFSA-N
MW366.05 g/mol
LogP3.38
Rot. Bonds2

About 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 10785085) has the molecular formula C13H24BIO3 and a molecular weight of 366.05 g/mol. Its IUPAC name is 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID10785085
Molecular FormulaC13H24BIO3
Molecular Weight366.05 g/mol
Exact Mass366.09
IUPAC Name2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CCC[C@@H]([C@H](I)B2OC(C)(C)C(C)(C)O2)O1
InChIInChI=1S/C13H24BIO3/c1-9-7-6-8-10(16-9)11(15)14-17-12(2,3)13(4,5)18-14/h9-11H,6-8H2,1-5H3/t9?,10-,11-/m0/s1
InChIKeyAQQHRUCWWJFCCE-DVRYWGNFSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-Dimethyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166000398
2-[(2S)-2-butyloxan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164670972
4,4,5,5-Tetramethyl-2-[(oxan-2-yl)methyl]-1,3,2-dioxaborolane
CID 10656823
2-[(R)-iodo-[(2S)-oxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10760417
2-[(S)-iodo-[(2S)-oxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100960974
2-[(S)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 100960975
4,4,5,5-Tetramethyl-2-[1-(oxan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 100960976
4,4,5,5-Tetramethyl-2-[1-(6-methyloxan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 100960977

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 10785085) is 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1CCC[C@@H]([C@H](I)B2OC(C)(C)C(C)(C)O2)O1.
What is the InChIKey of 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AQQHRUCWWJFCCE-DVRYWGNFSA-N. The full InChI is InChI=1S/C13H24BIO3/c1-9-7-6-8-10(16-9)11(15)14-17-12(2,3)13(4,5)18-14/h9-11H,6-8H2,1-5H3/t9?,10-,11-/m0/s1.
What are the key properties of 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 366.05 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-iodo-[(2S)-6-methyloxan-2-yl]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10785085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).